1-(phenylmethyl)-5-[1-(2-piperidin-1-ium-1-ylethylamino)ethylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-(phenylmethyl)-5-[1-(2-piperidin-1-ium-1-ylethylamino)ethylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-benzyl-5-[1-(2-piperidin-1-ium-1-ylethylamino)ethylidene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(phenylmethyl)-5-[1-[2-(1-piperidin-1-iumyl)ethylamino]ethylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-benzyl-5-[1-(2-piperidin-1-ium-1-ylethylamino)ethylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-benzyl-5-[1-(2-piperidin-1-ium-1-ylethylamino)ethylidene]barbituric acid Formula: C20H27N4O3+ MolecularWeight: 371.45338

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(=O)NC(=O)N(C1=O)CC2=CC=CC=C2)NCC[NH+]3CCCCC3

Isomeric SMILES

CC(=C1C(=O)NC(=O)N(C1=O)CC2=CC=CC=C2)NCC[NH+]3CCCCC3

InChI

InChI=1S/C20H26N4O3/c1-15(21-10-13-23-11-6-3-7-12-23)17-18(25)22-20(27)24(19(17)26)14-16-8-4-2-5-9-16/h2,4-5,8-9,21H,3,6-7,10-14H2,1H3,(H,22,25,27)/p+1